N-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide

C13H21N3O2S — CID 47220825

IUPACN-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide
SMILESCCCNC(=O)C(C)NC(=O)NCCc1cccs1
InChIInChI=1S/C13H21N3O2S/c1-3-7-14-12(17)10(2)16-13(18)15-8-6-11-5-4-9-19-11/h4-5,9-10H,3,6-8H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeySDKIFBGZDFQIMO-UHFFFAOYSA-N
MW283.40 g/mol
LogP1.50
Rot. Bonds7

About N-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide

N-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide (PubChem CID 47220825) has the molecular formula C13H21N3O2S and a molecular weight of 283.40 g/mol. Its IUPAC name is N-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide.

Molecular Properties

Compound NameN-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide
PubChem CID47220825
Molecular FormulaC13H21N3O2S
Molecular Weight283.40 g/mol
Exact Mass283.14
IUPAC NameN-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide
SMILESCCCNC(=O)C(C)NC(=O)NCCc1cccs1
InChIInChI=1S/C13H21N3O2S/c1-3-7-14-12(17)10(2)16-13(18)15-8-6-11-5-4-9-19-11/h4-5,9-10H,3,6-8H2,1-2H3,(H,14,17)(H2,15,16,18)
InChIKeySDKIFBGZDFQIMO-UHFFFAOYSA-N
XLogP1.50
TPSA70.23 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.40
LogP ≤ 51.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide?
The IUPAC name of N-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide (CID 47220825) is N-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide.
What is the SMILES notation for N-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide?
The canonical SMILES for N-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide is CCCNC(=O)C(C)NC(=O)NCCc1cccs1.
What is the InChIKey of N-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide?
The InChIKey is SDKIFBGZDFQIMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O2S/c1-3-7-14-12(17)10(2)16-13(18)15-8-6-11-5-4-9-19-11/h4-5,9-10H,3,6-8H2,1-2H3,(H,14,17)(H2,15,16,18).
What are the key properties of N-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide?
N-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide has a molecular weight of 283.40 g/mol, XLogP of 1.50, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-propyl-2-(2-thiophen-2-ylethylcarbamoylamino)propanamide is sourced from PubChem (CID 47220825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).